3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole

C42H30N2 — CID 118686609

IUPAC3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc32)C=C1
InChIInChI=1S/C42H30N2/c1-3-11-33(12-4-1)43-39-17-9-7-15-35(39)37-27-31(23-25-41(37)43)29-19-21-30(22-20-29)32-24-26-42-38(28-32)36-16-8-10-18-40(36)44(42)34-13-5-2-6-14-34/h1-13,15-28,34H,14H2
InChIKeyAZIMNFHCDBBTAZ-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.28
Rot. Bonds4

About 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole

3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole (PubChem CID 118686609) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
PubChem CID118686609
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc32)C=C1
InChIInChI=1S/C42H30N2/c1-3-11-33(12-4-1)43-39-17-9-7-15-35(39)37-27-31(23-25-41(37)43)29-19-21-30(22-20-29)32-24-26-42-38(28-32)36-16-8-10-18-40(36)44(42)34-13-5-2-6-14-34/h1-13,15-28,34H,14H2
InChIKeyAZIMNFHCDBBTAZ-UHFFFAOYSA-N
XLogP11.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 134416567
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
9-cyclohexa-2,4-dien-1-yl-3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazole
CID 163416606
7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
3-butyl-9-cyclohexa-2,4-dien-1-yl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 163846017
4-chloro-9-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-14-(9-phenylcarbazol-3-yl)-1,3,5,6,8,10,11,13,15-nonazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
CID 172603873
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
6-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-2-[(1Z,3Z)-penta-1,3-dienyl]-9-phenylcarbazole;ethane;11-phenyl-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 142308570
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole (CID 118686609) is 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole is C1=CCC(n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc32)C=C1.
What is the InChIKey of 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The InChIKey is AZIMNFHCDBBTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-11-33(12-4-1)43-39-17-9-7-15-35(39)37-27-31(23-25-41(37)43)29-19-21-30(22-20-29)32-24-26-42-38(28-32)36-16-8-10-18-40(36)44(42)34-13-5-2-6-14-34/h1-13,15-28,34H,14H2.
What are the key properties of 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole has a molecular weight of 562.72 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118686609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).